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	hartrees
Energy at 0K	-188.471506
Energy at 298.15K	-188.475176
HF Energy	-188.169560
Nuclear repulsion energy	72.090268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3029	11.92
2	A'	3127	2944	13.08
3	A'	1608	1514	7.67
4	A'	1520	1430	0.95
5	A'	1266	1191	41.78
6	A'	1202	1132	3.12
7	A'	935	880	14.78
8	A'	459	432	4.28
9	A"	3208	3020	23.99
10	A"	1589	1496	5.73
11	A"	1176	1107	0.32
12	A"	167	157	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	1.038	-0.445	0.000
O2	0.000	0.618	0.000
O3	-1.262	-0.032	0.000
H4	1.985	0.092	0.000
H5	0.939	-1.057	0.896
H6	0.939	-1.057	-0.896

	C1	O2	O3	H4	H5	H6
C1		1.4862	2.3365	1.0889	1.0890	1.0890
O2	1.4862		1.4192	2.0535	2.1192	2.1192
O3	2.3365	1.4192		3.2489	2.5878	2.5878
H4	1.0889	2.0535	3.2489		1.7934	1.7934
H5	1.0890	2.1192	2.5878	1.7934		1.7910
H6	1.0890	2.1192	2.5878	1.7934	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	O3	107.040	O2	C1	H4	104.725
O2	C1	H5	109.800	O2	C1	H6	109.800
H4	C1	H5	110.865	H4	C1	H6	110.865
H5	C1	H6	110.630

All results from a given calculation for CH₃OO (methylperoxy radical)

using model chemistry: CISD/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3OO (methylperoxy radical)

using model chemistry: CISD/3-21G

States and conformations

All results from a given calculation for CH₃OO (methylperoxy radical)